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Title: PowerPoint Presentation Last modified by: admin Created Date: 1/1/1601 12:00:00 AM Document presentation format: (4:3) Other titles
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Can we use 2D to assign this spectrum? 4 aromatic protons Structure first determined by Woodward in 1948 (without NMR!) CH2 Identify CH, CH2 and CH3 peaks on HSQC ...
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The Project menu and it's sub-menu: Import C13 peaks. The Run Noah menu. It has 7 buttons for different type of 2D or 3D HSQC spectra assignment. ...
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a. COSY. c. d. e. f. g. h. i. j. k. l. b. m. o. p. q. r. v. u. t. s. n. C21H22N2O2. TOCSY. C21H22N2O2. HSQC ... Sorry for the poor resolution. This is from a ...
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Assign chemical shifts using HSQC and 3D experiments ... Assign the likelihood that each system corresponds to a type of amino acid ...
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to illustrate this point, in the picture at left, simulated ... this picture shows 15N-1H residual dipolar couplings measured in an 15N-1H HSQC ...
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highly conserved in both rod and cone photoreceptors of all vertebrates ... Phototaxis system is a complex consisting of the Sensory rhodopsin II (SRII) and ...
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NMR Spectroscopy Question and Answer Session Judith Klein-Seetharaman Department of Structural Biology jks33@pitt.edu
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Structural Studies of UBLCPI, a Novel CTD Phosphatase by NMR spectroscopy
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Title: PowerPoint Presentation Author: Matt Cordes Last modified by: Matt Cordes Created Date: 2/6/2005 7:57:34 PM Document presentation format: On-screen Show
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NOESY/ROESY NOE ZASTOSOWANIE Eksperymenty bardzo u yteczne przy analizie konformacyjnej. Wygodna metoda ustalania konfiguracji wzgl dnej centr w asymetrii, ...
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Title: 1. dia Author: richter Last modified by: Zs fica Created Date: 4/5/2006 3:59:01 PM Document presentation format: On-screen Show Company: Richter Gedeon Rt.
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1H/Broad band Reverse 5mm probe. 1H/15N/13C 5mm probe. TXI (1H ... TALOS (dihedral angles prediction on IRIX 6.X & Linux ) XPLOR (structure calculation on IRIX) ...
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Before mixing. After mixing. t1. t2. The Power of 2D NMR: ... Differ Only By The Nature Of Mixing. Scalar Coupling. Dipolar Coupling. Homonuclear. COSY ...
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Starting at an amide proton (H) the magnetization is transferred to the directly ... transferred back the same way to the amide proton which is measured as the third ...
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Running experiments. Bruker TopSpin2.0. Slightly more user friendly ... An introduction to the TopSpin2.0 user interface. Part I. How to set-up the spectrometer ...
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Chapter 4. SAR) Structure-Activity Relationships Targets) II. III. - ...
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The following spectra are for the sugar derivative shown below. ... We will not analyze these protons, as there is a great deal of overlap. ...
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Purpose: determine the structure of a natural product via NMR and MS. ... Strychnine alkaloid toxin. Past: H. Leuchs worked. on structure for 40 years ...
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A real example. The rat fatty acid acyl carrier protein. Involved in fatty acid biosynthesis and part of a larger subunit, the synthase, Is it structured by itself??
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Structure and Pharmacophore Elucidation of the HRV14-3C Protease. Trent Bjorndahl ... 1Rates of peptide hydrolysis are expressed relative to 2C-3A and are the mean of ...
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Protein NMR IV - Isotopic labeling The only nuclei that we can look in a protein is usually the 1H. In small proteins (up to 10 KDa, ~ 80 amino acids) this is
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Anesthetic Modulation of Protein Dynamics: Insight from an NMR Study Presented by: Logan Woodall Mentor: Dr. Pei Tang Mistic A 4 a-helix bundle in the transmembrane ...
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Title: 1D 1H NMR spectra of proteins Author: Matt Cordes Last modified by: Matt Cordes Created Date: 2/5/2002 12:08:08 PM Document presentation format
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STRUCTURAL PROTEOMICS. Structural biology on a genome-wide scale. Cheryl Arrowsmith ... supernatant. X 96. X 96. The NMR Pipeline. 18 at a time in batch mode ...
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Problem un-32 Hint: There are 2 separate mono-substituted aromatic rings in that molecule. As they have very similar shifts do not try to analyze fully all the ...
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iii) Frequency labeling of the heteronucleus, during evolution time t1 ... 1.1%, so one must suppress signals that may be 100 times more intense than the ...
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NMR Studies on Nonreceptor Protein Tyrosine Kinase-6 (PTK6) STRUCTRAL BIOLOGY & MOLECULAR BIOPHISICS LAB YONSEI UNIVERSITY CHUNHUA CHI Moderate staining (+2) strong ...
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Cornerstone of structure calculation. Use highest field strengths possible! ... HNHA, Phi angles, and H-bonds at end of calculation. Watch log files carefully ...
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3J Scalar Couplings 3JHN-Ha. The 3J coupling constants are related to the dihedral angles ... by the Karplus equation, which is an empirical relationship ...
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Title: Robotic Platform for Classical Restriction Enzyme/Ligase Cloning Author: Guy Montelione Last modified by: EDMONDSC Created Date: 2/28/2002 3:37:48 PM
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STRATEGY BASED ON C-H CONNECTIVITY COSY DATA ... And similarly for COSY data. Organic Structure Analysis, Crews, Rodriguez and Jaspars ...
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Germany: Institute for Chemistry, Medical University L beck, L beck ... Systems investigated: interaction of oligosaccharides with glycosylhydrolases, ...
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Problems with higher molecular weights and how to. overcome them. is the. linewidth. in Hz ... Free Ligand 8.4 24.0 57.3 97.2 141.0 330.5. L132 1H shift ...
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... 1H NMR spectrum of ethanol 1H NMR spectrum of Lysozyme 2D NMR spectroscopy Cosy spectrum Noesy spectrum Lysozyme NOESY spectrum 15N ...
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Protein Sample Requirements for HTP NMR Spectroscopy. NIGMS Protein Structure ... Hetero-nuclear multidimensional NMR can 'live' with short tags, though they may ...
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Thousands of interactions between atoms- also need to be assigned ... More information to identify signals. Lower sensitivity to MW of protein ...
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Retinoic acid (RA) induces nuclear import of CRABP II. CRABP II story ... Why does K-FABP respond differently. to different ligands? ...
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beta-sheet. type I turn. type II turn. Close interatomic distances in 2ndary structures ... pair of betas. around 3 ppm: aromatic (YHWF) or Asp/Asn (DN) a ...
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Title: PowerPoint Presentation Last modified by: admin Created Date: 1/1/1601 12:00:00 AM Document presentation format: (4:3) Other titles
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NMR Analysis of Protein-Ligand Interactions A Ligand Interaction with a Protein will Perturb Both Structures These structural perturbations are reflected by changes ...
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The data are Fourier transformed with respect to both t1 and t2. FT (t1,t2) General rule: all 2D NMR spectra contain the 1D spectrum along the diagonal.
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Brief Summary: Pyridine & Pyrrole: Acid/base chemistry. D/A properties H-bonding (non-specific) ... Reactions of pyridine (N as a nucleophile) Sugars. Fischer ...
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Can lead to greater understanding of basic biological processes ... Analyzing dynamics data. http://www.chem.unsw.edu.au/research/groups/field/images/two ...
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... physical, chemical, and biological properties. ... High time complexity. Peak Assignment ... output the heaviest one among Mi. Improved Two layer Algorithm ...
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Nuclear Magnetic Resonance NMR spectroscopy
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Relations of Heavy Metal Sequestration and Rhizospheric Ligands under Different ... included cellulose, wheat straw, pine shavings, chitin, bone meal, or none. ...
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3J Scalar Couplings 3JHN-Ha. The 3J coupling constants are related to the dihedral angles. by the Karplus equation, which is an empirical relationship ...
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Alanine. 3JNa. 3Jab. TOCSY (Total Correlation Spectroscopy) Experiment. 90oy pulse. Time (t1) ... Alanine. 3JNa. 3Jab. NOESY (NOE Spectroscopy) Experiment. 90oy ...
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(Bio)-applications of high-field NMR Aims To give an overview of the capability of NMR to answer biological questions To make aware of limitations To give a basic ...
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... NOESY, ROESY 5.4.3 1D Selective Excitation 5.4.4 1D Selective Excitation 6.1 13C NMR 12C has no magnetic spin. 13C has a magnetic spin, ...
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The Ontario Structural Genomics Initiative MTH40 MTH1615 MTH152 MTH1184 MTH1175 MTH538 MTH150 MTH129 MTH1790 MTH1048 MTH1699
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Medicinal Chemistry Journal Club September 2004 NMR structure determination and calcium binding effects of lipopeptide antibiotic Daptomycin
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Virtual NMR Spectrometer. a software package for accurate and ... Grant Support: Camille & Henry Dreyfus Foundation. National Science Foundation ...
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Quantum mechanical energy level diagram for a weakly coupling two spin system. Scalar and dipolar coupling between equivalent spins ...
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Bovine a-subunit of transducin 350 aa. M. thermautotrophicus CDC6 379 aa ... a-subunit bovine transducin (350aa) Processing activity: Kd of fusion protein and ...
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